About 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole
2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole (PubChem CID 176653366) has the molecular formula C33H25F6N5O2
and a molecular weight of 637.58 g/mol. Its IUPAC name is 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole.
Molecular Properties
| Compound Name | 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole |
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| PubChem CID | 176653366 |
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| Molecular Formula | C33H25F6N5O2 |
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| Molecular Weight | 637.58 g/mol |
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| Exact Mass | 637.19 |
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| IUPAC Name | 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole |
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| SMILES | COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(-c5cnn(C(F)(F)F)c5)cc4F)n3)cc2F)nc2ccccc21 |
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| InChI | InChI=1S/C33H25F6N5O2/c1-45-12-11-43-30-7-3-2-5-29(30)41-31(43)15-22-14-27(36)24(16-26(22)35)28-6-4-8-32(42-28)46-19-21-10-9-20(13-25(21)34)23-17-40-44(18-23)33(37,38)39/h2-10,13-14,16-18H,11-12,15,19H2,1H3 |
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| InChIKey | INWZRQPCBMKWKK-UHFFFAOYSA-N |
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| XLogP | 7.67 |
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| TPSA | 66.99 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 637.58 |
| LogP ≤ 5 | 7.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole (CID 176653366) is 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole is COCCn1c(Cc2cc(F)c(-c3cccc(OCc4ccc(-c5cnn(C(F)(F)F)c5)cc4F)n3)cc2F)nc2ccccc21.
What is the InChIKey of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?
The InChIKey is INWZRQPCBMKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N5O2/c1-45-12-11-43-30-7-3-2-5-29(30)41-31(43)15-22-14-27(36)24(16-26(22)35)28-6-4-8-32(42-28)46-19-21-10-9-20(13-25(21)34)23-17-40-44(18-23)33(37,38)39/h2-10,13-14,16-18H,11-12,15,19H2,1H3.
What are the key properties of 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole?
2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole has a molecular weight of 637.58 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-difluoro-4-[6-[[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 176653366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).